2-[2-(1,3-benzodioxol-5-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine

C20H12N4O2S — CID 25050938

IUPAC2-[2-(1,3-benzodioxol-5-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine
SMILESc1cc(-c2nc3ccncc3s2)c2nc(-c3ccc4c(c3)OCO4)[nH]c2c1
InChIInChI=1S/C20H12N4O2S/c1-2-12(20-23-13-6-7-21-9-17(13)27-20)18-14(3-1)22-19(24-18)11-4-5-15-16(8-11)26-10-25-15/h1-9H,10H2,(H,22,24)
InChIKeySKIYGIKXUGDIJG-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.63
Rot. Bonds2

About 2-[2-(1,3-benzodioxol-5-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine

2-[2-(1,3-benzodioxol-5-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 25050938) has the molecular formula C20H12N4O2S and a molecular weight of 372.41 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine
PubChem CID25050938
Molecular FormulaC20H12N4O2S
Molecular Weight372.41 g/mol
Exact Mass372.07
IUPAC Name2-[2-(1,3-benzodioxol-5-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine
SMILESc1cc(-c2nc3ccncc3s2)c2nc(-c3ccc4c(c3)OCO4)[nH]c2c1
InChIInChI=1S/C20H12N4O2S/c1-2-12(20-23-13-6-7-21-9-17(13)27-20)18-14(3-1)22-19(24-18)11-4-5-15-16(8-11)26-10-25-15/h1-9H,10H2,(H,22,24)
InChIKeySKIYGIKXUGDIJG-UHFFFAOYSA-N
XLogP4.63
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(1,3-benzodioxol-5-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Related Compounds

3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137109600
3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 137109378
2-naphthalen-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 170404333
2-(1,3-benzodioxol-5-yl)-6-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 118251196
2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79795462
2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 23025557
4-(1,3-benzodioxol-5-yl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 137109092
2-(4-methylphenyl)-[1,3]thiazolo[5,4-c]pyridine
CID 86182025
1,3-benzodioxole-5-carbaldehyde;2-(1,3-benzodioxol-5-yl)-3H-naphtho[3,2-e]benzimidazole-6,11-dione;1,2-diaminoanthracene-9,10-dione
CID 161100297
N-[5-[3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-(dimethylamino)acetamide
CID 137109153
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole
CID 115911892
[4-[3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
CID 137109575

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine (CID 25050938) is 2-[2-(1,3-benzodioxol-5-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine is c1cc(-c2nc3ccncc3s2)c2nc(-c3ccc4c(c3)OCO4)[nH]c2c1.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is SKIYGIKXUGDIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O2S/c1-2-12(20-23-13-6-7-21-9-17(13)27-20)18-14(3-1)22-19(24-18)11-4-5-15-16(8-11)26-10-25-15/h1-9H,10H2,(H,22,24).
What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine?
2-[2-(1,3-benzodioxol-5-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 372.41 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 25050938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).